SCHEMBL1615316

SCHEMBL1615316

CCCCn1c(CCc2ccc(OCCc3ccc(Cl)cc3)cc2)nc2ccc(NCCCNCC)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.44
TP53 P04637 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
HPGD P15428 1/20 0.38
KCNH2 Q12809 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1283079 0.89 SMN1; SMN2 (0.42) AGERTP53SMN1; SMN2MAPTCYP1A2
SCHEMBL1615296 0.80 AGER (0.51) AGERTP53SMN1; SMN2MAPTHTT
SCHEMBL1614766 0.80 SMN1; SMN2 (0.52) TP53SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1283017 0.79 SMN1; SMN2 (0.47) AGERTP53SMN1; SMN2MAPTCYP1A2
SCHEMBL1615081 0.78 TP53 (0.47) TP53SMN1; SMN2MAPTBRD4CREBBP
SCHEMBL13347580 0.78 AGER (0.49) AGERTP53SMN1; SMN2MAPTHTT
SCHEMBL14417419 0.77 SMN1; SMN2 (0.46) AGERTP53SMN1; SMN2MAPTCYP1A2
SCHEMBL1283462 0.77 SMN1; SMN2 (0.44) AGERTP53SMN1; SMN2MAPTCYP1A2
SCHEMBL1614104 0.77 SMN1; SMN2 (0.53) TP53SMN1; SMN2MAPTHTTNPSR1
SCHEMBL1282818 0.75 AGER (0.47) AGERTP53SMN1; SMN2MAPTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885TP53 238/4885SMN1; SMN2 3253/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B AGER 1/4885TP53 238/4885SMN1; SMN2 3253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.